N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide
Compound characteristics
| Compound ID: | Y042-6827 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[4-(1H-pyrrol-1-yl)thian-4-yl]acetamide |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C22 H28 N4 O S |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2[nH]1)NC(CC1(CCSCC1)n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.757 |
| logD: | 3.7559 |
| logSw: | -4.0131 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.848 |
| InChI Key: | ONZZIWJTWJMOJC-FQEVSTJZSA-N |